SCHEMBL2918705

SCHEMBL2918705

CCOC(=O)c1cc(-c2ccc(Cl)cn2)n(-c2ccc(Cl)nn2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.45
FAAH O00519 3/20 0.41
MGLL Q99685 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
IDO1 P14902 1/20 0.38
CA9 Q16790 2/20 0.38
KMT2A Q03164 2/20 0.37
ALOX5 P09917 2/20 0.37
GAA P10253 1/20 0.37
JMJD6 Q6NYC1 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4933068 0.92 CA9 (0.42) CHRNA7FAAHMGLLNPC1RAB9A
SCHEMBL2913900 0.86 ALDH1A1 (0.44) CHRNA7FAAHMGLLNPC1RAB9A
SCHEMBL5516387 0.84 ALOX5 (0.43) CHRNA7FAAHLMNATP53CA9
SCHEMBL27619816 0.84 RPA1 (0.45) SMN1; SMN2KMT2A
SCHEMBL5521156 0.84 ALDH1A1 (0.52) CHRNA7FAAHMGLLNPC1RAB9A
SCHEMBL5527972 0.82 ALOX5 (0.37) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL5522528 0.81 ALOX5 (0.40) FAAHMGLLRAB9ASMN1; SMN2KMT2A
SCHEMBL5269059 0.81 CA9 (0.43) CHRNA7FAAHMGLLRAB9ASMN1; SMN2
SCHEMBL2915553 0.81 TP53 (0.40) CHRNA7FAAHMGLLLMNATP53
SCHEMBL2919032 0.81 CA9 (0.57) CHRNA7FAAHMGLLLMNATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 CHRNA7 4696/4885FAAH 1345/4885MGLL 2165/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.